7-[(2-amino-1,3-thiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-3-one

C12H18N4OS — CID 120903782

IUPAC7-[(2-amino-1,3-thiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-3-one
SMILESNc1ncc(CN2CCCC3(CNC(=O)C3)C2)s1
InChIInChI=1S/C12H18N4OS/c13-11-14-5-9(18-11)6-16-3-1-2-12(8-16)4-10(17)15-7-12/h5H,1-4,6-8H2,(H2,13,14)(H,15,17)
InChIKeyJHMOOHAOLAJMIU-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.83
Rot. Bonds2

About 7-[(2-amino-1,3-thiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-3-one

7-[(2-amino-1,3-thiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-3-one (PubChem CID 120903782) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 7-[(2-amino-1,3-thiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name7-[(2-amino-1,3-thiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-3-one
PubChem CID120903782
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name7-[(2-amino-1,3-thiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-3-one
SMILESNc1ncc(CN2CCCC3(CNC(=O)C3)C2)s1
InChIInChI=1S/C12H18N4OS/c13-11-14-5-9(18-11)6-16-3-1-2-12(8-16)4-10(17)15-7-12/h5H,1-4,6-8H2,(H2,13,14)(H,15,17)
InChIKeyJHMOOHAOLAJMIU-UHFFFAOYSA-N
XLogP0.83
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-azaspiro[3.5]nonan-6-ylmethyl)-1,3-thiazol-2-amine
CID 120903504
5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine
CID 120903266
5-[(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903265
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
1-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-5-one;hydrochloride
CID 120899996
[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-phenylpiperidin-3-yl]methanol
CID 120905528
5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904553
5-[(8-methyl-2-azaspiro[4.4]nonan-2-yl)methyl]-1,3-thiazol-2-amine
CID 120902228
5-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903924
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163
7-(piperidin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride
CID 119932073
9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane
CID 72940573

Frequently Asked Questions

What is the IUPAC name of 7-[(2-amino-1,3-thiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-3-one?
The IUPAC name of 7-[(2-amino-1,3-thiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-3-one (CID 120903782) is 7-[(2-amino-1,3-thiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 7-[(2-amino-1,3-thiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 7-[(2-amino-1,3-thiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-3-one is Nc1ncc(CN2CCCC3(CNC(=O)C3)C2)s1.
What is the InChIKey of 7-[(2-amino-1,3-thiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-3-one?
The InChIKey is JHMOOHAOLAJMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c13-11-14-5-9(18-11)6-16-3-1-2-12(8-16)4-10(17)15-7-12/h5H,1-4,6-8H2,(H2,13,14)(H,15,17).
What are the key properties of 7-[(2-amino-1,3-thiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-3-one?
7-[(2-amino-1,3-thiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-3-one has a molecular weight of 266.37 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-amino-1,3-thiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 120903782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).